Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : ACD

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 54


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 1.652 0.496 -7.475
2 C2 C C2 N N N 0 0.399 0.4 -6.643
3 C3 C C3 N N N 0 0.48 -0.83 -5.738
4 C4 C C4 N N N 0 -0.791 -0.928 -4.894
5 C5 C C5 N N N 0 -0.711 -2.14 -4.003
6 C6 C C6 N N N 0 -0.907 -2.019 -2.713
7 C7 C C7 N N N 0 -1.375 -0.706 -2.142
8 C8 C C8 N N N 0 -2.594 -0.935 -1.287
9 C9 C C9 N N N 0 -2.621 -0.496 -0.053
10 C10 C C10 N N N 0 -1.477 0.329 0.477
11 C11 C C11 N N N 0 -2.012 1.613 1.057
12 C12 C C12 N N N 0 -1.683 1.969 2.274
13 C13 C C13 N N N 0 -0.644 1.185 3.034
14 C14 C C14 N N N 0 0.417 2.123 3.546
15 C15 C C15 N N N 0 0.745 2.11 4.814
16 C16 C C16 N N N 0 0.186 1.049 5.727
17 C17 C C17 N N N 0 1.332 0.359 6.469
18 C18 C C18 N N N 0 0.765 -0.717 7.395
19 C19 C C19 N N N 0 1.911 -1.408 8.137
20 C20 C C20 N N N 0 1.343 -2.485 9.063
21 O1 O O1 N N N 0 2.521 -0.334 -7.356
22 O2 O O2 N N N 0 1.803 1.504 -8.348
23 H21 H 1H2 N N N 0 -0.466 0.311 -7.3
24 H22 H 2H2 N N N 0 0.3 1.295 -6.03
25 H31 H 1H3 N N N 0 1.346 -0.742 -5.082
26 H32 H 2H3 N N N 0 0.579 -1.726 -6.351
27 H41 H 1H4 N N N 0 -1.657 -1.016 -5.551
28 H42 H 2H4 N N N 0 -0.89 -0.032 -4.281
29 H5 H H5 N N N 0 -0.492 -3.109 -4.427
30 H6 H H6 N N N 0 -0.734 -2.861 -2.059
31 H71 H 1H7 N N N 0 -1.626 -0.024 -2.956
32 H72 H 2H7 N N N 0 -0.582 -0.27 -1.535
33 H8 H H8 N N N 0 -3.446 -1.463 -1.69
34 H9 H H9 N N N 0 -3.463 -0.725 0.583
35 H12 H H12 N N N 0 -2.157 2.824 2.734
36 H101 H 1H10 N N N 0 -0.787 0.557 -0.334
37 H102 H 2H10 N N N 0 -0.955 -0.229 1.252
38 H11 H H11 N N N 0 -2.665 2.241 0.469
39 H131 H 1H13 N N N 0 -0.189 0.448 2.371
40 H132 H 2H13 N N N 0 -1.116 0.676 3.874
41 H14 H H14 N N N 0 0.907 2.806 2.868
42 H15 H H15 N N N 0 1.417 2.86 5.206
43 H161 H 1H16 N N N 0 -0.359 0.314 5.137
44 H162 H 2H16 N N N 0 -0.488 1.51 6.449
45 H171 H 1H17 N N N 0 1.879 1.094 7.059
46 H172 H 2H17 N N N 0 2.007 -0.101 5.747
47 H181 H 1H18 N N N 0 0.218 -1.453 6.805
48 H182 H 2H18 N N N 0 0.09 -0.257 8.117
49 H191 H 1H19 N N N 0 2.457 -0.672 8.727
50 H192 H 2H19 N N N 0 2.585 -1.868 7.415
51 H201 H 1H20 N N N 0 2.16 -2.977 9.592
52 H202 H 2H20 N N N 0 0.668 -2.025 9.785
53 H203 H 3H20 N N N 0 0.797 -3.221 8.473
54 HO2 H HO2 N N N 0 2.607 1.566 -8.881